N-[(2-amino-6-chlorophenyl)methyl]-N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide

C17H22ClN5O2 — CID 130313155

IUPACN-[(2-amino-6-chlorophenyl)methyl]-N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESNc1cccc(Cl)c1CN(CCN1CCC(O)C1)C(=O)c1ccn[nH]1
InChIInChI=1S/C17H22ClN5O2/c18-14-2-1-3-15(19)13(14)11-23(17(25)16-4-6-20-21-16)9-8-22-7-5-12(24)10-22/h1-4,6,12,24H,5,7-11,19H2,(H,20,21)
InChIKeyQGGSUIMYGTUZSV-UHFFFAOYSA-N
MW363.85 g/mol
LogP1.35
Rot. Bonds6

About N-[(2-amino-6-chlorophenyl)methyl]-N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide

N-[(2-amino-6-chlorophenyl)methyl]-N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 130313155) has the molecular formula C17H22ClN5O2 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-[(2-amino-6-chlorophenyl)methyl]-N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-6-chlorophenyl)methyl]-N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID130313155
Molecular FormulaC17H22ClN5O2
Molecular Weight363.85 g/mol
Exact Mass363.15
IUPAC NameN-[(2-amino-6-chlorophenyl)methyl]-N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESNc1cccc(Cl)c1CN(CCN1CCC(O)C1)C(=O)c1ccn[nH]1
InChIInChI=1S/C17H22ClN5O2/c18-14-2-1-3-15(19)13(14)11-23(17(25)16-4-6-20-21-16)9-8-22-7-5-12(24)10-22/h1-4,6,12,24H,5,7-11,19H2,(H,20,21)
InChIKeyQGGSUIMYGTUZSV-UHFFFAOYSA-N
XLogP1.35
TPSA98.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-6-chlorophenyl)methyl]-N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2-amino-6-chlorophenyl)methyl]-N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 130313155) is N-[(2-amino-6-chlorophenyl)methyl]-N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2-amino-6-chlorophenyl)methyl]-N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2-amino-6-chlorophenyl)methyl]-N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide is Nc1cccc(Cl)c1CN(CCN1CCC(O)C1)C(=O)c1ccn[nH]1.
What is the InChIKey of N-[(2-amino-6-chlorophenyl)methyl]-N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is QGGSUIMYGTUZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O2/c18-14-2-1-3-15(19)13(14)11-23(17(25)16-4-6-20-21-16)9-8-22-7-5-12(24)10-22/h1-4,6,12,24H,5,7-11,19H2,(H,20,21).
What are the key properties of N-[(2-amino-6-chlorophenyl)methyl]-N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
N-[(2-amino-6-chlorophenyl)methyl]-N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-6-chlorophenyl)methyl]-N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 130313155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).